| SpectraBase Compound ID | 80udJO2Jatr |
|---|---|
| InChI | InChI=1S/C13H15N5O3/c19-13(15-8-11-3-1-5-14-7-11)4-2-6-17-10-12(9-16-17)18(20)21/h1,3,5,7,9-10H,2,4,6,8H2,(H,15,19) |
| InChIKey | QDHUKEPNHHHKTO-UHFFFAOYSA-N |
| Mol Weight | 289.3 g/mol |
| Molecular Formula | C13H15N5O3 |
| Exact Mass | 289.117489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkJC3rFBv4k |
|---|---|
| Name | 1H-Pyrazole-1-butanamide, 4-nitro-N-(3-pyridinylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.117489360 u |
| Formula | C13H15N5O3 |
| InChI | InChI=1S/C13H15N5O3/c19-13(15-8-11-3-1-5-14-7-11)4-2-6-17-10-12(9-16-17)18(20)21/h1,3,5,7,9-10H,2,4,6,8H2,(H,15,19) |
| InChIKey | QDHUKEPNHHHKTO-UHFFFAOYSA-N |
| SMILES | C(C(NCC=1C=NC=CC1)=O)CCN1C=C(C=N1)N(=O)=O |